SCHEMBL29958951

SCHEMBL29958951

CN1CCC(Cc2ccc(NC(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.49
KIT P10721 5/20 0.46
SRC P12931 2/20 0.45
ABL1 P00519 2/20 0.43
BRAF P15056 5/20 0.43
KDR P35968 1/20 0.42
NTRK1 P04629 1/20 0.42
NTRK3 Q16288 1/20 0.42
EGFR P00533 3/20 0.42
CDK8 P49336 2/20 0.42
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
RET P07949 1/20 0.41
CCNC P24863 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL272846 0.82 DDR1 (0.55) DDR1KIT
SCHEMBL29614753 0.81 KIT (0.65) KITSRCABL1BRAFEGFR
SCHEMBL20227773 0.81 KIT (0.65) KITSRCABL1BRAFEGFR
SCHEMBL3557511 0.79 DDR1 (0.56) DDR1KITBRAF
SCHEMBL30486141 0.78 KIT (0.47) DDR1KITSRCABL1BRAF
SCHEMBL272847 0.78 NR1H2 (0.63) DDR1
SCHEMBL30486106 0.78 KIT (0.44) KITSRCABL1BRAFNTRK1
SCHEMBL19072901 0.78 DDR1 (0.51) DDR1KIT
SCHEMBL30900112 0.77 CYP2C9 (0.52) KITSRCABL1BRAFKDR
Hydrochloric Acid SCHEMBL3555518 0.77 DDR1 (0.57) DDR1KIT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
WO-2022226182-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 DDR1 3149/4885KIT 4277/4885SRC 3388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.